Ni3H9Ru4
Alexandria ALEXAlex-ID: agm006371237 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C9_48_spg1
Ni3H4 NiH4 Ru
2024-02-25 06:23:25
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006371237).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
3D Crystal Structure Rendering
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm006371237
data_agm006371237
_cell_length_a 3.76798
_cell_length_b 4.62395
_cell_length_c 7.64160
_cell_angle_alpha 84.96744
_cell_angle_beta 104.50471
_cell_angle_gamma 113.87121
_cell_volume 117.85550
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ni1 Ni 0.91125 0.02217 0.82970 1.00000
Ni2 Ni 0.17850 0.79996 0.59075 1.00000
Ni3 Ni 0.54826 0.41472 0.71604 1.00000
H1 H 0.23519 0.31658 0.13911 1.00000
H2 H 0.75706 0.93658 0.02722 1.00000
H3 H 0.27124 0.85000 0.14667 1.00000
H4 H 0.35601 0.23180 0.49267 1.00000
H5 H 0.83739 0.98417 0.30580 1.00000
H6 H 0.91656 0.55315 0.33887 1.00000
H7 H 0.04926 0.40681 0.72683 1.00000
H8 H 0.32115 0.96344 0.80311 1.00000
H9 H 0.72591 0.53510 0.94564 1.00000
Ru1 Ru 0.44876 0.60615 0.33762 1.00000
Ru2 Ru 0.82735 0.19626 0.49474 1.00000
Ru3 Ru 0.66767 0.22928 0.12943 1.00000
Ru4 Ru 0.27465 0.62763 0.95442 1.00000
Get direct link